(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)[O-]

InChI

InChI=1S/C16H11NO6/c18-11-4-5-12-10(7-15(19)23-14(12)8-11)9-22-16(20)13-3-1-2-6-17(13)21/h1-8,18H,9H2